CID 6478147

(5z)-5-[(3,4-dichlorophenyl)methylene]-3-(4-fluorophenyl)sulfonyl-2-methyl-thiazolidin-4-one

Structural Information

Molecular Formula
C17H12Cl2FNO3S2
SMILES
CC1N(C(=O)/C(=C/C2=CC(=C(C=C2)Cl)Cl)/S1)S(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H12Cl2FNO3S2/c1-10-21(26(23,24)13-5-3-12(20)4-6-13)17(22)16(25-10)9-11-2-7-14(18)15(19)8-11/h2-10H,1H3/b16-9-
InChIKey
JRFAKFDCOXVZOH-SXGWCWSVSA-N
Compound name
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)sulfonyl-2-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.96198 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.96926 193.6
[M+Na]+ 453.95120 205.4
[M-H]- 429.95470 201.4
[M+NH4]+ 448.99580 206.7
[M+K]+ 469.92514 196.6
[M+H-H2O]+ 413.95924 187.7
[M+HCOO]- 475.96018 194.1
[M+CH3COO]- 489.97583 218.0
[M+Na-2H]- 451.93665 189.3
[M]+ 430.96143 198.5
[M]- 430.96253 198.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.